4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene

C35H46F2 — CID 88993492

IUPAC4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene
SMILESC=CC1CCC(C2CCC(c3ccc(C4CCC(c5ccc(CCC)c(F)c5)CC4)c(F)c3)CC2)CC1
InChIInChI=1S/C35H46F2/c1-3-5-30-18-19-31(22-34(30)36)28-14-16-29(17-15-28)33-21-20-32(23-35(33)37)27-12-10-26(11-13-27)25-8-6-24(4-2)7-9-25/h4,18-29H,2-3,5-17H2,1H3
InChIKeyGTVHUTCOBHZVOP-UHFFFAOYSA-N
MW504.75 g/mol
LogP10.62
Rot. Bonds7

About 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene

4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene (PubChem CID 88993492) has the molecular formula C35H46F2 and a molecular weight of 504.75 g/mol. Its IUPAC name is 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene.

Molecular Properties

Compound Name4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene
PubChem CID88993492
Molecular FormulaC35H46F2
Molecular Weight504.75 g/mol
Exact Mass504.36
IUPAC Name4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene
SMILESC=CC1CCC(C2CCC(c3ccc(C4CCC(c5ccc(CCC)c(F)c5)CC4)c(F)c3)CC2)CC1
InChIInChI=1S/C35H46F2/c1-3-5-30-18-19-31(22-34(30)36)28-14-16-29(17-15-28)33-21-20-32(23-35(33)37)27-12-10-26(11-13-27)25-8-6-24(4-2)7-9-25/h4,18-29H,2-3,5-17H2,1H3
InChIKeyGTVHUTCOBHZVOP-UHFFFAOYSA-N
XLogP10.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.75
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene with MolForge

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Related Compounds

4-[4-[4-[4-(4-ethenylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]-1-ethyl-2-fluorobenzene
CID 88993446
4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-(3-fluoro-4-propylphenyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 88993495
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene
CID 67737471
1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene
CID 71422815
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-3-fluorophenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 67737890
5-ethenyl-2-[4-[4-[2-[2-[4-[4-(5-ethenyl-1,3-dioxan-2-yl)cyclohexyl]-2-fluorophenyl]ethoxy]ethyl]-3-fluorophenyl]cyclohexyl]-1,3-dioxane
CID 140976217
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
2-[4-[4-[4-(4-ethenylcyclohexyl)-2,3-difluorophenyl]cyclohexyl]-2-fluorophenyl]oxirane
CID 88953262
4-[4-[(E)-but-1-enyl]cyclohexyl]-1-[4-[4-(difluoromethyl)cyclohexyl]cyclohexyl]-2-fluorobenzene
CID 70797561
4-(4-ethenylcyclohexyl)-1-ethoxy-2-fluorobenzene
CID 71422813
1-[2-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-propylbenzene
CID 154607349
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene?
The IUPAC name of 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene (CID 88993492) is 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene.
What is the SMILES notation for 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene?
The canonical SMILES for 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene is C=CC1CCC(C2CCC(c3ccc(C4CCC(c5ccc(CCC)c(F)c5)CC4)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene?
The InChIKey is GTVHUTCOBHZVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46F2/c1-3-5-30-18-19-31(22-34(30)36)28-14-16-29(17-15-28)33-21-20-32(23-35(33)37)27-12-10-26(11-13-27)25-8-6-24(4-2)7-9-25/h4,18-29H,2-3,5-17H2,1H3.
What are the key properties of 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene?
4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene has a molecular weight of 504.75 g/mol, XLogP of 10.62, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene is sourced from PubChem (CID 88993492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).